6-ethoxy-2-nitropyridin-3-amine

C7H9N3O3 — CID 13077421

IUPAC6-ethoxy-2-nitropyridin-3-amine
SMILESCCOc1ccc(N)c([N+](=O)[O-])n1
InChIInChI=1S/C7H9N3O3/c1-2-13-6-4-3-5(8)7(9-6)10(11)12/h3-4H,2,8H2,1H3
InChIKeyQYGJSWAPELVOOE-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.97
Rot. Bonds3

About 6-ethoxy-2-nitropyridin-3-amine

6-ethoxy-2-nitropyridin-3-amine (PubChem CID 13077421) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 6-ethoxy-2-nitropyridin-3-amine.

Molecular Properties

Compound Name6-ethoxy-2-nitropyridin-3-amine
PubChem CID13077421
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name6-ethoxy-2-nitropyridin-3-amine
SMILESCCOc1ccc(N)c([N+](=O)[O-])n1
InChIInChI=1S/C7H9N3O3/c1-2-13-6-4-3-5(8)7(9-6)10(11)12/h3-4H,2,8H2,1H3
InChIKeyQYGJSWAPELVOOE-UHFFFAOYSA-N
XLogP0.97
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-nitropyridin-3-amine?
The IUPAC name of 6-ethoxy-2-nitropyridin-3-amine (CID 13077421) is 6-ethoxy-2-nitropyridin-3-amine.
What is the SMILES notation for 6-ethoxy-2-nitropyridin-3-amine?
The canonical SMILES for 6-ethoxy-2-nitropyridin-3-amine is CCOc1ccc(N)c([N+](=O)[O-])n1.
What is the InChIKey of 6-ethoxy-2-nitropyridin-3-amine?
The InChIKey is QYGJSWAPELVOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-2-13-6-4-3-5(8)7(9-6)10(11)12/h3-4H,2,8H2,1H3.
What are the key properties of 6-ethoxy-2-nitropyridin-3-amine?
6-ethoxy-2-nitropyridin-3-amine has a molecular weight of 183.17 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-nitropyridin-3-amine is sourced from PubChem (CID 13077421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).